2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide

C18H18N4O2 — CID 111432604

IUPAC2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)C(O)c1ccccc1
InChIInChI=1S/C18H18N4O2/c23-17(15-4-2-1-3-5-15)18(24)20-16-9-13-22(21-16)12-8-14-6-10-19-11-7-14/h1-7,9-11,13,17,23H,8,12H2,(H,20,21,24)
InChIKeyUXOKAHORYMOJIR-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.19
Rot. Bonds6

About 2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide

2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide (PubChem CID 111432604) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
PubChem CID111432604
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)C(O)c1ccccc1
InChIInChI=1S/C18H18N4O2/c23-17(15-4-2-1-3-5-15)18(24)20-16-9-13-22(21-16)12-8-14-6-10-19-11-7-14/h1-7,9-11,13,17,23H,8,12H2,(H,20,21,24)
InChIKeyUXOKAHORYMOJIR-UHFFFAOYSA-N
XLogP2.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide (CID 111432604) is 2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide is O=C(Nc1ccn(CCc2ccncc2)n1)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
The InChIKey is UXOKAHORYMOJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17(15-4-2-1-3-5-15)18(24)20-16-9-13-22(21-16)12-8-14-6-10-19-11-7-14/h1-7,9-11,13,17,23H,8,12H2,(H,20,21,24).
What are the key properties of 2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 111432604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).